SCHEMBL7002779

SCHEMBL7002779

CCCCc1cc(/C(=C/c2ccc(Cl)cc2)C(=O)O)n2nccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CTRC Q99895 1/20 0.38
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7002781 1.00 CCNT1 (0.39) CCNT1CDK7CDK9CCNHAKR1C3
SCHEMBL7006630 0.82 MEN1 (0.37) CCNT1CDK7CDK9CCNHAKR1C3
SCHEMBL7003833 0.82 MEN1 (0.45) CCNT1CDK7CDK9CCNHAKR1C3
SCHEMBL7006633 0.82 MEN1 (0.37) CCNT1CDK7CDK9CCNHAKR1C3
SCHEMBL7003831 0.82 MEN1 (0.45) CCNT1CDK7CDK9CCNHAKR1C3
SCHEMBL7003168 0.76 CDK7 (0.45) CCNT1CDK7CDK9CCNHCTRC
SCHEMBL7003473 0.76 CDK7 (0.45) CCNT1CDK7CDK9CCNHCTRC
SCHEMBL7003171 0.76 CDK7 (0.45) CCNT1CDK7CDK9CCNHCTRC
SCHEMBL7094663 0.74 MEN1 (0.38) CCNT1CDK7CDK9CCNHAKR1C2
SCHEMBL7094659 0.74 MEN1 (0.38) CCNT1CDK7CDK9CCNHAKR1C2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed